Geometry & MOs

Info

ID:	310167
PubChem CID:	126575998
Reduced:	FIOSN4H8C9 (1)
Stoich.:	ABCDE4F8G9 (1)
Weight, g/mol:	356.050316
ΔH_f, kcal/mol:	29.65
Dipole, Da:	1.61
IP(EA), eV:	-9.22(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]phenyl]-2H-tetrazol-5-one

Drug info:

PubChemData

Smile

CN1C(=O)N(N=N1)C2=C(C(=CC=C2)SCF)I

DOS

IR

Vibrations